3-Chlorophenethyl alcohol - CAS 5182-44-5

Name: 3-Chlorophenethyl alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027616
Product Name:	3-Chlorophenethyl alcohol
CAS:	5182-44-5
Synonyms:	2-(3-chlorophenyl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(3-chlorophenyl)ethanol
Description:	3-Chlorophenethyl alcohol (CAS# 5182-44-5) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C8H9ClO
Canonical SMILES:	C1=CC(=CC(=C1)Cl)CCO
InChI:	InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChI Key:	NDWAVJKRSASRPH-UHFFFAOYSA-N
Boiling Point:	257.2 °C at 760 mmHg
Purity:	95 %
Density:	1.189 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00002892
LogP:	1.87480

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Related Functional Groups

Halides

[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[452-76-6]C7H6F2
2,4-Difluorotoluene

Oxygen Compounds

[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[37503-42-7]C10H14O3
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[861434-97-1]C13H11ClN2O3
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

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WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
EP-3797109-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20180522

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0341926
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5